6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine

C9H6BrF2NS — CID 130941806

IUPAC6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine
SMILESNc1cc(Br)cc2scc(C(F)F)c12
InChIInChI=1S/C9H6BrF2NS/c10-4-1-6(13)8-5(9(11)12)3-14-7(8)2-4/h1-3,9H,13H2
InChIKeyVOOXYJYQTPTRCI-UHFFFAOYSA-N
MW278.12 g/mol
LogP4.18
Rot. Bonds1

About 6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine

6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine (PubChem CID 130941806) has the molecular formula C9H6BrF2NS and a molecular weight of 278.12 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine
PubChem CID130941806
Molecular FormulaC9H6BrF2NS
Molecular Weight278.12 g/mol
Exact Mass276.94
IUPAC Name6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine
SMILESNc1cc(Br)cc2scc(C(F)F)c12
InChIInChI=1S/C9H6BrF2NS/c10-4-1-6(13)8-5(9(11)12)3-14-7(8)2-4/h1-3,9H,13H2
InChIKeyVOOXYJYQTPTRCI-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-chloro-4-(difluoromethyl)-1-benzothiophene
CID 130961129
4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene
CID 131119349
3-(difluoromethyl)-4-fluoro-6-methyl-1-benzothiophene
CID 130805378
3-amino-5-(difluoromethyl)-1-benzothiophen-4-ol
CID 130792241
6-chloro-4-(difluoromethyl)-1-benzothiophene-3-thiol
CID 130885364
6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine
CID 130839743
3-(difluoromethyl)-7-methyl-1-benzothiophen-4-amine
CID 130805230
3-(difluoromethyl)-5,6-difluoro-1-benzothiophene
CID 131029323
6-bromo-4-(difluoromethyl)pyridine-2,3-diamine
CID 130098542
1-benzothiophene-3,4,6-triamine
CID 130971655
3-bromo-7-(difluoromethyl)-1-benzothiophen-5-amine
CID 131191017
5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene
CID 131001333

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine?
The IUPAC name of 6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine (CID 130941806) is 6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine is Nc1cc(Br)cc2scc(C(F)F)c12.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine?
The InChIKey is VOOXYJYQTPTRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF2NS/c10-4-1-6(13)8-5(9(11)12)3-14-7(8)2-4/h1-3,9H,13H2.
What are the key properties of 6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine?
6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine has a molecular weight of 278.12 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine is sourced from PubChem (CID 130941806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).